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About This Item
Empirical Formula (Hill Notation):
C17H18BrNO
CAS Number:
Molecular Weight:
332.23
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Assay
97%
form
solid
mp
44-50 °C
SMILES string
CCC(Br)C(=O)N(Cc1ccccc1)c2ccccc2
InChI
1S/C17H18BrNO/c1-2-16(18)17(20)19(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChI key
DVAAHBQCAZCHOP-UHFFFAOYSA-N
Application
Used in Ni-pybox catalyzed asymmetric Negishi couplings.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Skin Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
>230.0 °F
Flash Point(C)
> 110 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Christian Fischer et al.
Journal of the American Chemical Society, 127(13), 4594-4595 (2005-03-31)
A Ni/Pybox catalyst achieves the asymmetric cross-coupling of secondary alpha-bromo amides with organozinc reagents. The process tolerates a variety of functional groups and affords the desired product in good yield and in high enantiomeric excess.
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